2-chloro-α,α,α,6-tetrafluoro-p-tolyl m-nitrophenyl ether | 128919-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-α,α,α,6-tetrafluoro-p-tolyl m-nitrophenyl ether
• 英文别名: 3-(2-chloro-4-trifluoromethyl-6-fluorophenoxy)nitrobenzene；3-chloro-5-fluoro-4-(3-nitrophenoxy)benzotrifluoride；1-Chloro-3-fluoro-2-(3-nitrophenoxy)-5-(trifluoromethyl)benzene
• CAS: 128919-84-6
• 化学式: C₁₃H₆ClF₄NO₃
• 分子量: 335.642
• InChiKey: COUFQHUOIHINKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  306.2±42.0 °C(Predicted)
• 密度：
  1.515±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-α,α,α,6-tetrafluoro-p-tolyl m-nitrophenyl ether 在 sodium nitrate 、 sodium nitrite 作用下， 以 二氯甲烷 、 氯仿 、 硫酸 、 Petroleum ether 为溶剂， 以98.5%的产率得到4-(2-chloro-4-trifluoromethyl-6-fluorophenoxy)-1,2-dinitrobenzene
  参考文献：
  名称：

  Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents

  摘要：

  提供一种具有结构式I的芳氧基-N-(取代苯基)苯并三唑化合物。另外提供了一种包含该化合物的组合物和方法，用于控制不良植物物种。

  公开号：

  US05484762A1
• 作为产物：
  描述：

  间硝基苯酚 、 3-氯-4,5-二氟三氟甲苯 以 二甲基亚砜 为溶剂， 生成 2-chloro-α,α,α,6-tetrafluoro-p-tolyl m-nitrophenyl ether
  参考文献：
  名称：

  Heterocyclic compounds

  摘要：

  公式（I）的除草化合物：其中R'独立地选自H、CN、N02、卤素、较低的烷基、较低的卤代烷基；m是1到4的整数；R2是N或CR'，其中R1如上所定义；R3是公式（a）、（b）或（c）的基团：或其N-氧化物或季铵盐衍生物，其中R4是指定的有机基团。还描述了制备这些化合物和含有它们的组合物的方法。

  公开号：

  EP0355049A2

文献信息

• Aryloxy benzotriazole herbicidal agents and methods for the preparation
  申请人：American Cyanamid Company

  公开号：US05324711A1

  公开（公告）日：1994-06-28

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The structures of these compounds are represented by formulas I and II shown below: ##STR1## wherein M is C--X, N or N.sup.+ --O.sup.- ; W, X, Y and Z each independently represent hydrogen, halogen, nitro, cyano, C.sub.1 -C.sub.4 haloalkyl or C.sub.1 -C.sub.4 haloalkoxy; n is 0, 1 or 2; R is hydrogen, C.sub.1 -C.sub.4 alkyl, aryl or when taken together with R.sub.1, R and R.sub.1 may form a ring in which RR.sub.1 are represented by the structure --(CH.sub.2).sub.m -- where m is an integer of 2, 3, 4 or 5; R.sub.1 and R.sub.2 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl or when taken together R.sub.1 and R.sub.2 may form a ring in which R.sub.1 R.sub.2 are represented by the structure --(CH.sub.2).sub.m -- where m is an integer of 2, 3, 4 or 5; R.sub.3 is cyano, ##STR2## CH.sub.2 OR.sub.8 or CH(OR.sub.9).sub.2 ; Q is OH, OR.sub.4 or NR.sub.5 R.sub.6 ; A is O, NOR.sub.5, NCOR.sub.5, NNR.sub.5 R.sub.6 or NNHCONH.sub.2 ; R.sub.7 is hydrogen, C.sub.1 -C.sub.4 alkyl or aryl; R.sub.8 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sub.9 is C.sub.1 -C.sub.4 alkyl; R.sub.4 is C.sub.1 -C.sub.6 alkyl optionally interrupted by O or S or optionally substituted with C.sub.1 -C.sub.4 alkoxy, halogen, hydroxy, C.sub.3 --C.sub.6 cycloalkyl, furyl, or optionally substituted phenyl; C.sub.3 -C.sub.6 alkenyl optionally substituted with one or two C.sub.1 -C.sub.3 alkoxy, halogen, substituted phenyl or C.sub.3 -C.sub.6 cycloalkyl; C.sub.3 -C.sub.6 alkynyl optionally substituted with C.sub.1 -C.sub.4 alkoxy or halogen; C.sub.3 -C.sub.6 cycloalkyl; ammonium; C.sub.1 -C.sub.6 dialkylammonium; C.sub.1 -C.sub.6 trialkylammonium; a metal cation; or a moiety of formula ##STR3## R.sub.5 and R.sub.6 each independently represent hydrogen, C.sub.1 -C.sub.6 alkyl, phenyl or halophenyl; the benzotriazole N-oxide or N-methosulfate; and when R.sub.1 or R.sub.2 is C.sub.1 -C.sub.4 alkyl, the optical isomer thereof; with the proviso that when M is C--X in formula I, wherein X is hydrogen, halogen, nitro, cyano or C.sub.1 -C.sub.4 haloalkyl, the benzotriazole is substituted in the 6 position by aryloxy, n is O, R.sub.3 is ##STR4## and R.sub.7 is C.sub.1 -C.sub.4 alkyl, then R and R.sub.1 cannot be hydrogen or C.sub.1 -C.sub.4 alkyl. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  这项发明涉及某些取代芳氧基苯并三唑化合物，这些化合物是除草剂。这些化合物的结构由下面显示的公式I和II表示：其中M为C--X、N或N.sup.+ --O.sup.-；W、X、Y和Z分别独立表示氢、卤素、硝基、氰基、C.sub.1 -C.sub.4卤代烷基或C.sub.1 -C.sub.4卤代氧基；n为0、1或2；R为氢、C.sub.1 -C.sub.4烷基、芳基，或当与R.sub.1一起时，R和R.sub.1可以形成一个环，其中RR.sub.1由结构--(CH.sub.2).sub.m--表示，其中m为2、3、4或5的整数；R.sub.1和R.sub.2各自独立表示氢、C.sub.1 -C.sub.4烷基，或当R.sub.1和R.sub.2一起时，R.sub.1和R.sub.2可以形成一个环，其中R.sub.1R.sub.2由结构--(CH.sub.2).sub.m--表示，其中m为2、3、4或5的整数；R.sub.3为氰基，CH.sub.2OR.sub.8或CH(OR.sub.9).sub.2；Q为OH、OR.sub.4或NR.sub.5R.sub.6；A为O、NOR.sub.5、NCOR.sub.5、NNR.sub.5R.sub.6或NNHCONH.sub.2；R.sub.7为氢、C.sub.1 -C.sub.4烷基或芳基；R.sub.8为氢或C.sub.1 -C.sub.4烷基；R.sub.9为C.sub.1 -C.sub.4烷基；R.sub.4为C.sub.1 -C.sub.6烷基，可选地被O或S打断，或可选地被C.sub.1 -C.sub.4烷氧基、卤素、羟基、C.sub.3 -C.sub.6环烷基、呋喃基或可选地取代的苯基所取代；C.sub.3 -C.sub.6烯烃，可选地被一个或两个C.sub.1 -C.sub.3烷氧基、卤素、取代苯基或C.sub.3 -C.sub.6环烷基取代；C.sub.3 -C.sub.6炔烃，可选地被C.sub.1 -C.sub.4烷氧基或卤素取代；C.sub.3 -C.sub.6环烷基；铵；C.sub.1 -C.sub.6二烷基铵；C.sub.1 -C.sub.6三烷基铵；金属阳离子；或公式的一个部分##STR3## R.sub.5和R.sub.6各自独立表示氢、C.sub.1 -C.sub.6烷基、苯基或卤苯基；苯并三唑N-氧化物或N-甲基磺酸盐；当R.sub.1或R.sub.2为C.sub.1 -C.sub.4烷基时，其光学异构体；但是，当公式I中M为C--X时，其中X为氢、卤素、硝基、氰基或C.sub.1 -C.sub.4卤代烷基时，苯并三唑在6位被芳氧基取代，n为O，R.sub.3为##STR4##，且R.sub.7为C.sub.1 -C.sub.4烷基时，R和R.sub.1不能为氢或C.sub.1 -C.sub.4烷基。该发明还涉及制备芳氧基苯并三唑化合物的方法。
• Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0367242A2

  公开（公告）日：1990-05-09

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  本发明涉及某些取代的芳氧基苯并三唑化合物，它们是除草剂。本发明还涉及芳氧基苯并三唑化合物的制备方法。
• US5324711A
  申请人：——

  公开号：US5324711A

  公开（公告）日：1994-06-28
• US5428003A
  申请人：——

  公开号：US5428003A

  公开（公告）日：1995-06-27
• US5484762A
  申请人：——

  公开号：US5484762A

  公开（公告）日：1996-01-16